TL;DR: Kingianoside D (CAS 145854-05-3) is a chemical compound with molecular formula C45H72O19 and molecular weight 916.4668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S,13R,16S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-10-one
Also Known As: Kingianoside D
| Molecular Formula | C45H72O19 |
| Molecular Weight | 916.4668 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 916.4668 Da |
| Heavy Atoms | 64 |
| Complexity | 1690.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3(C4CC(=O)[C@]5(C(C4CC=C3C2)CC6C5[C@@H](C(O6)(CC[C@@H](C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | YEPLHFBCHYIXDM-ANPMHBOPSA-N |
The XLogP value of -1.3 indicates that Kingianoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Kingianoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kingianoside D has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Kingianoside D is 145854-05-3.
The molecular formula of Kingianoside D is C45H72O19.
The molecular weight of Kingianoside D is 916.4668 g/mol.
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